3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(2-fluorophenyl)propanamide

C17H22FN3O2 — CID 31932591

IUPAC3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(2-fluorophenyl)propanamide
SMILESO=C(CCN1CCN(C(=O)C2CC2)CC1)Nc1ccccc1F
InChIInChI=1S/C17H22FN3O2/c18-14-3-1-2-4-15(14)19-16(22)7-8-20-9-11-21(12-10-20)17(23)13-5-6-13/h1-4,13H,5-12H2,(H,19,22)
InChIKeyUWYARAGWPIXKDN-UHFFFAOYSA-N
MW319.38 g/mol
LogP1.71
Rot. Bonds5

About 3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(2-fluorophenyl)propanamide

3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(2-fluorophenyl)propanamide (PubChem CID 31932591) has the molecular formula C17H22FN3O2 and a molecular weight of 319.38 g/mol. Its IUPAC name is 3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(2-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(2-fluorophenyl)propanamide
PubChem CID31932591
Molecular FormulaC17H22FN3O2
Molecular Weight319.38 g/mol
Exact Mass319.17
IUPAC Name3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(2-fluorophenyl)propanamide
SMILESO=C(CCN1CCN(C(=O)C2CC2)CC1)Nc1ccccc1F
InChIInChI=1S/C17H22FN3O2/c18-14-3-1-2-4-15(14)19-16(22)7-8-20-9-11-21(12-10-20)17(23)13-5-6-13/h1-4,13H,5-12H2,(H,19,22)
InChIKeyUWYARAGWPIXKDN-UHFFFAOYSA-N
XLogP1.71
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(cyclopentanecarbonyl)piperazin-1-yl]-N-(2-fluorophenyl)propanamide
CID 36881302
2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide
CID 86850419
N-(2-fluorophenyl)-3-piperidin-1-ylpropanamide;oxalic acid
CID 171154607
N-(2-fluorophenyl)-3-thiomorpholin-4-ylpropanamide
CID 91843372
N-(2-fluorophenyl)-3-morpholin-4-ylpropanamide
CID 575001
N-(2-fluorophenyl)-3-(3-hydroxyazetidin-1-yl)propanamide
CID 63282550
3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(2-fluorophenyl)propanamide
CID 24589190
N-(2-fluorophenyl)-4-(piperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146012
N-(5-chloro-2-pyridinyl)-1-[3-(2-fluoroanilino)-3-oxopropyl]piperidine-4-carboxamide
CID 56525471
N-(2-fluorophenyl)-3-(4-hydroxy-3-methylpiperidin-1-yl)propanamide
CID 114681385
N-(4-acetylphenyl)-3-[4-(cyclopropanecarbonyl)piperazin-1-yl]propanamide
CID 31932540
N-(2-fluorophenyl)-3-(4-pyrazin-2-ylpiperazin-1-yl)propanamide
CID 33413945

Frequently Asked Questions

What is the IUPAC name of 3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(2-fluorophenyl)propanamide?
The IUPAC name of 3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(2-fluorophenyl)propanamide (CID 31932591) is 3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(2-fluorophenyl)propanamide.
What is the SMILES notation for 3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(2-fluorophenyl)propanamide?
The canonical SMILES for 3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(2-fluorophenyl)propanamide is O=C(CCN1CCN(C(=O)C2CC2)CC1)Nc1ccccc1F.
What is the InChIKey of 3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(2-fluorophenyl)propanamide?
The InChIKey is UWYARAGWPIXKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O2/c18-14-3-1-2-4-15(14)19-16(22)7-8-20-9-11-21(12-10-20)17(23)13-5-6-13/h1-4,13H,5-12H2,(H,19,22).
What are the key properties of 3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(2-fluorophenyl)propanamide?
3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(2-fluorophenyl)propanamide has a molecular weight of 319.38 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(2-fluorophenyl)propanamide is sourced from PubChem (CID 31932591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).